N-[3-(2-methoxyphenyl)propyl]-2-(4-methylphenoxy)butanamide

C21H27NO3 — CID 132652282

IUPACN-[3-(2-methoxyphenyl)propyl]-2-(4-methylphenoxy)butanamide
SMILESCCC(Oc1ccc(C)cc1)C(=O)NCCCc1ccccc1OC
InChIInChI=1S/C21H27NO3/c1-4-19(25-18-13-11-16(2)12-14-18)21(23)22-15-7-9-17-8-5-6-10-20(17)24-3/h5-6,8,10-14,19H,4,7,9,15H2,1-3H3,(H,22,23)
InChIKeySSIPEKIAIIHKOJ-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.91
Rot. Bonds9

About N-[3-(2-methoxyphenyl)propyl]-2-(4-methylphenoxy)butanamide

N-[3-(2-methoxyphenyl)propyl]-2-(4-methylphenoxy)butanamide (PubChem CID 132652282) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-[3-(2-methoxyphenyl)propyl]-2-(4-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-[3-(2-methoxyphenyl)propyl]-2-(4-methylphenoxy)butanamide
PubChem CID132652282
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC NameN-[3-(2-methoxyphenyl)propyl]-2-(4-methylphenoxy)butanamide
SMILESCCC(Oc1ccc(C)cc1)C(=O)NCCCc1ccccc1OC
InChIInChI=1S/C21H27NO3/c1-4-19(25-18-13-11-16(2)12-14-18)21(23)22-15-7-9-17-8-5-6-10-20(17)24-3/h5-6,8,10-14,19H,4,7,9,15H2,1-3H3,(H,22,23)
InChIKeySSIPEKIAIIHKOJ-UHFFFAOYSA-N
XLogP3.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(3,4-dimethylphenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide
CID 94015813
(2S)-2-(4-fluorophenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide
CID 99954339
(2S)-N-[3-(2-methoxyphenyl)propyl]-2-naphthalen-2-yloxybutanamide
CID 92673251
N-[(2-methoxyphenyl)methyl]-2-(4-methylphenoxy)butanamide
CID 53286332
2-(2-methoxyphenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide
CID 132653883
(2S)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)butanoyl]amino]ethyl]butanamide
CID 40796762
2-(3,4-dimethylphenoxy)-N-(3-phenylpropyl)butanamide
CID 43905383
N-[3-(4-ethoxyphenyl)propyl]-2-(4-methylphenoxy)butanamide
CID 132653717
(2R)-2-(2-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide
CID 93487721
2-(4-tert-butylphenoxy)-N-[(2-methoxyphenyl)methyl]butanamide
CID 132653687
(2R)-2-phenoxy-N-[4-[[(2S)-2-phenoxybutanoyl]amino]butyl]butanamide
CID 7449151
2-(4-phenylphenoxy)-N-[8-[2-(4-phenylphenoxy)butanoylamino]octyl]butanamide
CID 17233430

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyphenyl)propyl]-2-(4-methylphenoxy)butanamide?
The IUPAC name of N-[3-(2-methoxyphenyl)propyl]-2-(4-methylphenoxy)butanamide (CID 132652282) is N-[3-(2-methoxyphenyl)propyl]-2-(4-methylphenoxy)butanamide.
What is the SMILES notation for N-[3-(2-methoxyphenyl)propyl]-2-(4-methylphenoxy)butanamide?
The canonical SMILES for N-[3-(2-methoxyphenyl)propyl]-2-(4-methylphenoxy)butanamide is CCC(Oc1ccc(C)cc1)C(=O)NCCCc1ccccc1OC.
What is the InChIKey of N-[3-(2-methoxyphenyl)propyl]-2-(4-methylphenoxy)butanamide?
The InChIKey is SSIPEKIAIIHKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-4-19(25-18-13-11-16(2)12-14-18)21(23)22-15-7-9-17-8-5-6-10-20(17)24-3/h5-6,8,10-14,19H,4,7,9,15H2,1-3H3,(H,22,23).
What are the key properties of N-[3-(2-methoxyphenyl)propyl]-2-(4-methylphenoxy)butanamide?
N-[3-(2-methoxyphenyl)propyl]-2-(4-methylphenoxy)butanamide has a molecular weight of 341.45 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyphenyl)propyl]-2-(4-methylphenoxy)butanamide is sourced from PubChem (CID 132652282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).